methyl 3-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]pyridine-2-carboxylate

C18H27N3O4 — CID 170906756

IUPACmethyl 3-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1CN1CCC[C@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H27N3O4/c1-18(2,3)25-17(23)20-14-8-6-10-21(12-14)11-13-7-5-9-19-15(13)16(22)24-4/h5,7,9,14H,6,8,10-12H2,1-4H3,(H,20,23)/t14-/m0/s1
InChIKeySANIJSRPEFIFGM-AWEZNQCLSA-N
MW349.43 g/mol
LogP2.36
Rot. Bonds4

About methyl 3-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]pyridine-2-carboxylate

methyl 3-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]pyridine-2-carboxylate (PubChem CID 170906756) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is methyl 3-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]pyridine-2-carboxylate
PubChem CID170906756
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Namemethyl 3-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1CN1CCC[C@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H27N3O4/c1-18(2,3)25-17(23)20-14-8-6-10-21(12-14)11-13-7-5-9-19-15(13)16(22)24-4/h5,7,9,14H,6,8,10-12H2,1-4H3,(H,20,23)/t14-/m0/s1
InChIKeySANIJSRPEFIFGM-AWEZNQCLSA-N
XLogP2.36
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 3-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]pyridine-2-carboxylate (CID 170906756) is methyl 3-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]pyridine-2-carboxylate is COC(=O)c1ncccc1CN1CCC[C@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of methyl 3-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]pyridine-2-carboxylate?
The InChIKey is SANIJSRPEFIFGM-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-18(2,3)25-17(23)20-14-8-6-10-21(12-14)11-13-7-5-9-19-15(13)16(22)24-4/h5,7,9,14H,6,8,10-12H2,1-4H3,(H,20,23)/t14-/m0/s1.
What are the key properties of methyl 3-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]pyridine-2-carboxylate?
methyl 3-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]pyridine-2-carboxylate has a molecular weight of 349.43 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 170906756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).